5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

C15H12ClN3O2 — CID 91681816

IUPAC5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3ccc(Cl)cc3)cc2)o1
InChIInChI=1S/C15H12ClN3O2/c16-12-5-1-10(2-6-12)9-20-13-7-3-11(4-8-13)14-18-19-15(17)21-14/h1-8H,9H2,(H2,17,19)
InChIKeyPZMCHQTUHYVTEI-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.55
Rot. Bonds4

About 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine

5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91681816) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91681816
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(OCc3ccc(Cl)cc3)cc2)o1
InChIInChI=1S/C15H12ClN3O2/c16-12-5-1-10(2-6-12)9-20-13-7-3-11(4-8-13)14-18-19-15(17)21-14/h1-8H,9H2,(H2,17,19)
InChIKeyPZMCHQTUHYVTEI-UHFFFAOYSA-N
XLogP3.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
5-[4-(pyridin-3-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 91682556
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681973
5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
CID 18073044
5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 102420099
5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91683263
5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686187
5-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686193
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
5-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 100672769
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine (CID 91681816) is 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc(OCc3ccc(Cl)cc3)cc2)o1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PZMCHQTUHYVTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-12-5-1-10(2-6-12)9-20-13-7-3-11(4-8-13)14-18-19-15(17)21-14/h1-8H,9H2,(H2,17,19).
What are the key properties of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine?
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 301.73 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91681816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).